SCHEMBL16665804

SCHEMBL16665804

C=C1/C=C\C=C/CCC(n2nc(-c3ccc(C(C)=O)cc3)c3c(N)ncnc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.50
LCK P06239 2/20 0.50
TEK Q02763 1/20 0.50
KDR P35968 6/20 0.49
EGFR P00533 6/20 0.49
PIK3CD O00329 3/20 0.49
ABL1 P00519 3/20 0.49
HCK P08631 3/20 0.49
PIK3CA P42336 3/20 0.49
PIK3CB P42338 3/20 0.49
MTOR P42345 3/20 0.49
PIK3CG P48736 3/20 0.49
EPHB4 P54760 3/20 0.49
PRKDC P78527 3/20 0.49
PI4KB Q9UBF8 3/20 0.49
BTK Q06187 6/20 0.46
RET P07949 4/20 0.46
NUDT14 O95848 2/20 0.46
NUDT5 Q9UKK9 2/20 0.46
LYN P07948 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16665815 0.92 SRC (0.49) SRCLCKTEKKDREGFR
SCHEMBL16665682 0.87 EGFR (0.51) SRCLCKKDREGFRPIK3CD
SCHEMBL16665711 0.82 PIK3CD (0.62) SRCKDREGFRPIK3CDABL1
SCHEMBL16665783 0.78 EGFR (0.46) SRCLCKKDREGFRPIK3CD
SCHEMBL16655730 0.77 ATR (0.70) SRCLCKTEKKDREGFR
SCHEMBL16665841 0.76 ATR (0.61) SRCKDREGFRPIK3CDABL1
SCHEMBL16665849 0.73 PIK3CD (0.53) SRCKDREGFRPIK3CDABL1
SCHEMBL16665809 0.73 RET (0.43) SRCLCKKDREGFRPIK3CD
SCHEMBL13020084 0.71 SRC (0.67) SRCLCKTEKKDREGFR
SCHEMBL16665739 0.70 PIK3CD (0.51) SRCKDREGFRPIK3CDABL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015058084-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-23 WO disclosed